Geometry & MOs

Info

ID:	233023
PubChem CID:	87691345
Reduced:	NOS2C11H23 (1)
Stoich.:	ABC2D11E23 (1)
Weight, g/mol:	218.054755
ΔH_f, kcal/mol:	-69.35
Dipole, Da:	5.01
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-isocyanatohexylcarbamodithioic acid

Drug info:

PubChemData

Smile

C(CCCCCO)CCCCNC(=S)S

DOS

IR

Vibrations